| 6dz3_ligand |
| RDKit 3D |
|
|
| 64 67 0 0 0 0 0 0 0 0999 V2000 |
| -2.6682 1.9769 -3.8644 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9413 2.3554 -2.5220 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -4.4381 2.1725 -2.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4922 1.3290 -0.9745 N 0 0 2 0 0 4 0 0 0 0 0 0 |
| -5.6568 1.5977 -0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9267 0.4737 0.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8689 -0.9023 0.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5114 -1.4476 -0.6638 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6329 -2.7910 -0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0260 -3.5851 0.3526 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3410 -3.0222 1.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7575 -3.8298 2.5688 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2584 -1.6455 1.6187 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5376 -0.7583 2.6279 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3151 0.5274 2.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1350 1.4186 -0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2130 1.4222 -1.5481 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.8007 1.8762 -1.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2994 1.9796 -2.6350 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7871 0.2252 -2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6922 -0.3280 -1.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0222 0.4182 -1.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8631 -0.1513 -0.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4887 -0.0246 0.7922 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4173 -0.6048 1.5398 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3897 -1.0328 0.7185 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0606 -0.8274 -0.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6059 -1.6117 1.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7975 -0.6654 1.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.1583 -1.3879 3.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.1076 -1.2603 1.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7053 2.0832 -4.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6638 3.4086 -2.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9216 3.1349 -2.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9778 1.6343 -3.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6233 0.3477 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5328 1.7406 -0.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4572 2.5342 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3903 -3.3010 -1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6672 -4.8151 2.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4451 -3.5667 3.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8815 -1.0239 3.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4917 1.3627 2.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9913 0.5585 0.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0886 2.3535 0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1710 0.4102 -1.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3620 1.2239 -0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8309 2.8815 -0.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3066 0.1579 -3.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1171 -0.3846 -2.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1623 -0.3297 -0.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8976 -1.3818 -1.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8446 1.4749 -1.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5657 0.3970 -2.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6938 -1.1263 -1.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4256 -1.8581 2.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7815 -2.5448 0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9282 -0.4221 0.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5945 0.2875 1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.9573 -0.4275 3.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4288 -2.1199 3.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.1509 -1.7284 3.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.2765 -2.2433 1.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.9357 -0.6162 1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 1 0 |
| 2 17 1 0 |
| 3 4 1 0 |
| 4 5 1 0 |
| 4 16 1 0 |
| 5 6 1 0 |
| 6 7 1 0 |
| 6 15 2 0 |
| 7 8 2 0 |
| 7 13 1 0 |
| 8 9 1 0 |
| 9 10 2 0 |
| 10 11 1 0 |
| 11 12 1 0 |
| 11 13 2 0 |
| 13 14 1 0 |
| 14 15 1 0 |
| 16 17 1 0 |
| 17 18 1 0 |
| 18 19 1 0 |
| 19 20 1 0 |
| 20 21 1 0 |
| 21 22 1 0 |
| 22 23 1 0 |
| 23 24 1 0 |
| 23 27 2 0 |
| 24 25 2 0 |
| 25 26 1 0 |
| 26 27 1 0 |
| 26 28 1 0 |
| 28 29 1 0 |
| 29 31 1 0 |
| 31 30 1 0 |
| 1 32 1 0 |
| 2 33 1 6 |
| 3 34 1 0 |
| 3 35 1 0 |
| 4 36 1 6 |
| 5 37 1 0 |
| 5 38 1 0 |
| 9 39 1 0 |
| 12 40 1 0 |
| 12 41 1 0 |
| 14 42 1 0 |
| 15 43 1 0 |
| 16 44 1 0 |
| 16 45 1 0 |
| 17 46 1 6 |
| 18 47 1 0 |
| 18 48 1 0 |
| 20 49 1 0 |
| 20 50 1 0 |
| 21 51 1 0 |
| 21 52 1 0 |
| 22 53 1 0 |
| 22 54 1 0 |
| 27 55 1 0 |
| 28 56 1 0 |
| 28 57 1 0 |
| 29 58 1 0 |
| 29 59 1 0 |
| 30 60 1 0 |
| 30 61 1 0 |
| 30 62 1 0 |
| 31 63 1 0 |
| 31 64 1 0 |
| M CHG 1 4 1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
